SCHEMBL7835682

SCHEMBL7835682

C=C(Br)C(=O)Nc1n[nH]c(C(=O)Nc2c[nH]c(C(=O)Nc3c[nH]c(C(=O)NCCC(N)=O)c3C)c2C)c1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7827423 1.00 BDKRB1 (0.32) BDKRB1
SCHEMBL9038445 0.93 BDKRB1 (0.32) BDKRB1
SCHEMBL9037966 0.92 BDKRB1 (0.33) BDKRB1
SCHEMBL9038322 0.92 BDKRB1 (0.33) BDKRB1
SCHEMBL9040461 0.92 BDKRB1 (0.33) BDKRB1
SCHEMBL9038360 0.92 BDKRB1 (0.33) BDKRB1
SCHEMBL7834927 0.91 BDKRB1 (0.31) BDKRB1
SCHEMBL7826294 0.91 BDKRB1 (0.31) BDKRB1
SCHEMBL9038066 0.91 BDKRB1 (0.33) BDKRB1
SCHEMBL9037076 0.91 BDKRB1 (0.33) BDKRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064280-A1 ACRYLOYL DERIVATIVES ANALOGOUS TO DISTAMYCIN, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-01-03 EP disclosed
WO-1999050265-A1 ACRYLOYL DERIVATIVES ANALOGOUS TO DISTAMYCIN, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-07 WO disclosed